Sökning: "Stephan Sauer"

Hittade 1 avhandling innehållade orden Stephan Sauer.

1. 1. Extending the capabilities of polarizable embedding through damped linear response theory

   Författare :Morten Steen Nørby; Jacob Kongsted; Hans Jörgen Aagaard Jensen; Patrick Norman; Stephan Sauer; Linköpings universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES;

   Sammanfattning : One of the greater challenges of modern quantum chemistry is to meet the growing demands of a detailed description of macro molecules, such as proteins and RNA/DNA. The size of such systems make it an almost impossible task to, from first principle calculations, obtain any detailed information regarding electronic structure. LÄS MER